3,3-bis[4-[1,3-bis(oxidanylidene)-2-pyridin-2-yl-isoindol-5-yl]oxyphenyl]butanenitrile

Systemtic Name: 3,3-bis[4-[1,3-bis(oxidanylidene)-2-pyridin-2-yl-isoindol-5-yl]oxyphenyl]butanenitrile Openeye Name: 3,3-bis[4-[1,3-dioxo-2-(2-pyridyl)isoindolin-5-yl]oxyphenyl]butanenitrile CAS Name: 3,3-bis[4-[[1,3-dioxo-2-(2-pyridinyl)-5-isoindolyl]oxy]phenyl]butanenitrile IUPAC Name: 3,3-bis[4-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxyphenyl]butanenitrile Traditional Name: 3,3-bis[4-[1,3-diketo-2-(2-pyridyl)isoindolin-5-yl]oxyphenyl]butyronitrile Formula: C42H27N5O6 MolecularWeight: 697.69368

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#N)(C1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC=N4)C5=CC=C(C=C5)OC6=CC7=C(C=C6)C(=O)N(C7=O)C8=CC=CC=N8

Isomeric SMILES

CC(CC#N)(C1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC=N4)C5=CC=C(C=C5)OC6=CC7=C(C=C6)C(=O)N(C7=O)C8=CC=CC=N8

InChI

InChI=1S/C42H27N5O6/c1-42(20-21-43,26-8-12-28(13-9-26)52-30-16-18-32-34(24-30)40(50)46(38(32)48)36-6-2-4-22-44-36)27-10-14-29(15-11-27)53-31-17-19-33-35(25-31)41(51)47(39(33)49)37-7-3-5-23-45-37/h2-19,22-25H,20H2,1H3